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Compound Detail

CHEMBL166330

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CC(=O)c1ccc(N2CCNCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166330
Phase Preclinical
Structure Type MOL
InChI Key KPXVKKBJROCIJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

204.3
MW (Da)
1.30
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N2O
MW 204.27
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
1347318 10.1021/jm00082a016 Beta-1 adrenergic receptor 1
1347318 10.1021/jm00082a016 Beta-2 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine